3-bromo-5-cyanobenzenediazonium tetrafluoroborate

C7H3BBrF4N3 — CID 10589998

IUPAC3-bromo-5-cyanobenzenediazonium tetrafluoroborate
SMILESF[B-](F)(F)F.N#Cc1cc(Br)cc([N+]#N)c1
InChIInChI=1S/C7H3BrN3.BF4/c8-6-1-5(4-9)2-7(3-6)11-10;2-1(3,4)5/h1-3H;/q+1;-1
InChIKeyFVMLSNNLANLLIB-UHFFFAOYSA-N
MW295.83 g/mol
LogP4.11
Rot. Bonds

About 3-bromo-5-cyanobenzenediazonium tetrafluoroborate

3-bromo-5-cyanobenzenediazonium tetrafluoroborate (PubChem CID 10589998) has the molecular formula C7H3BBrF4N3 and a molecular weight of 295.83 g/mol. Its IUPAC name is 3-bromo-5-cyanobenzenediazonium tetrafluoroborate.

Molecular Properties

Compound Name3-bromo-5-cyanobenzenediazonium tetrafluoroborate
PubChem CID10589998
Molecular FormulaC7H3BBrF4N3
Molecular Weight295.83 g/mol
Exact Mass294.95
IUPAC Name3-bromo-5-cyanobenzenediazonium tetrafluoroborate
SMILESF[B-](F)(F)F.N#Cc1cc(Br)cc([N+]#N)c1
InChIInChI=1S/C7H3BrN3.BF4/c8-6-1-5(4-9)2-7(3-6)11-10;2-1(3,4)5/h1-3H;/q+1;-1
InChIKeyFVMLSNNLANLLIB-UHFFFAOYSA-N
XLogP4.11
TPSA51.94 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.83
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-cyanobenzenediazonium tetrafluoroborate?
The IUPAC name of 3-bromo-5-cyanobenzenediazonium tetrafluoroborate (CID 10589998) is 3-bromo-5-cyanobenzenediazonium tetrafluoroborate.
What is the SMILES notation for 3-bromo-5-cyanobenzenediazonium tetrafluoroborate?
The canonical SMILES for 3-bromo-5-cyanobenzenediazonium tetrafluoroborate is F[B-](F)(F)F.N#Cc1cc(Br)cc([N+]#N)c1.
What is the InChIKey of 3-bromo-5-cyanobenzenediazonium tetrafluoroborate?
The InChIKey is FVMLSNNLANLLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrN3.BF4/c8-6-1-5(4-9)2-7(3-6)11-10;2-1(3,4)5/h1-3H;/q+1;-1.
What are the key properties of 3-bromo-5-cyanobenzenediazonium tetrafluoroborate?
3-bromo-5-cyanobenzenediazonium tetrafluoroborate has a molecular weight of 295.83 g/mol, XLogP of 4.11, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-cyanobenzenediazonium tetrafluoroborate is sourced from PubChem (CID 10589998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).